SCHEMBL3650332

SCHEMBL3650332

CCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 5/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 5/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3010437 0.93 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3016931 0.89 MAPT (0.55) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3651711 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3014531 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3649200 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3009477 0.83 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3650646 0.83 LMNA (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3014604 0.83 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3013029 0.83 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3002900 0.82 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO disclosed